prop-2-en-1-yl 10-ethoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 10-ethoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
prop-2-en-1-yl 10-ethoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-1752 |
| Compound Name: | prop-2-en-1-yl 10-ethoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 438.54 |
| Molecular Formula: | C24 H26 N2 O4 S |
| Smiles: | CCOc1cccc2C3C(C(=O)OCC=C)C(C)(N(C(N3)=S)c3cccc(C)c3)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0931 |
| logD: | 5.0931 |
| logSw: | -4.8899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.454 |
| InChI Key: | BDOZAKPEDOIECT-UHFFFAOYSA-N |